ChemSpider 2D Image | Ethyl 4-[3-(3-{3-methoxy-4-[(3-methoxybenzyl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]-1-piperazinecarboxylate | C28H33N5O7

Ethyl 4-[3-(3-{3-methoxy-4-[(3-methoxybenzyl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]-1-piperazinecarboxylate

  • Molecular FormulaC28H33N5O7
  • Average mass551.591 Da
  • Monoisotopic mass551.237976 Da
  • ChemSpider ID22726822

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Piperazinecarboxylic acid, 4-[3-[2,5-dihydro-3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-oxo-1,2,4-triazin-6-yl]-1-oxopropyl]-, ethyl ester [ACD/Index Name]
4-[3-(3-{3-Méthoxy-4-[(3-méthoxybenzyl)oxy]phényl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[3-(3-{3-methoxy-4-[(3-methoxybenzyl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[3-(3-{3-methoxy-4-[(3-methoxybenzyl)oxy]phenyl}-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl)propanoyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 719.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.2±35.7 °C
Index of Refraction: 1.613
Molar Refractivity: 146.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.93
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.14
ACD/KOC (pH 5.5): 369.18
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 20.79
ACD/KOC (pH 7.4): 282.80
Polar Surface Area: 131 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 419.4±7.0 cm3

Click to predict properties on the Chemicalize site


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